DPFLCA_n_1, n=6

Name: DPFLCA_n_1, n=6 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀HF₁₇O₂ — CID 139595101

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(E)-2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10,10-heptadecafluorodec-8-enoic acid

SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F

InChIInChI=1S/C10HF17O2/c11-1(2(12)6(17,18)19)4(13,14)7(20,21)9(24,25)10(26,27)8(22,23)5(15,16)3(28)29/h(H,28,29)/b2-1+

InChIKeyGNNQRDNYXJTRPX-OWOJBTEDSA-N

MW476.08 g/mol

LogP5.60

Rot. Bonds7

About DPFLCA_n_1, n=6

DPFLCA_n_1, n=6 (PubChem CID 139595101) has the molecular formula C₁₀HF₁₇O₂ and a molecular weight of 476.08 g/mol. Its IUPAC name is (E)-2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10,10-heptadecafluorodec-8-enoic acid.

Molecular Properties

Compound Name	DPFLCA_n_1, n=6
PubChem CID	139595101
Molecular Formula	C₁₀HF₁₇O₂
Molecular Weight	476.08 g/mol
Exact Mass	475.97
IUPAC Name	(E)-2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10,10-heptadecafluorodec-8-enoic acid
SMILES	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F
InChI	InChI=1S/C10HF17O2/c11-1(2(12)6(17,18)19)4(13,14)7(20,21)9(24,25)10(26,27)8(22,23)5(15,16)3(28)29/h(H,28,29)/b2-1+
InChIKey	GNNQRDNYXJTRPX-OWOJBTEDSA-N
XLogP	5.60
TPSA	37.30 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.08
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of DPFLCA_n_1, n=6?

The IUPAC name of DPFLCA_n_1, n=6 (CID 139595101) is (E)-2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10,10-heptadecafluorodec-8-enoic acid.

What is the SMILES notation for DPFLCA_n_1, n=6?

The canonical SMILES for DPFLCA_n_1, n=6 is O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F.

What is the InChIKey of DPFLCA_n_1, n=6?

The InChIKey is GNNQRDNYXJTRPX-OWOJBTEDSA-N. The full InChI is InChI=1S/C10HF17O2/c11-1(2(12)6(17,18)19)4(13,14)7(20,21)9(24,25)10(26,27)8(22,23)5(15,16)3(28)29/h(H,28,29)/b2-1+.

What are the key properties of DPFLCA_n_1, n=6?

DPFLCA_n_1, n=6 has a molecular weight of 476.08 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for DPFLCA_n_1, n=6 is sourced from PubChem (CID 139595101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139595101 — identifiers, structure, computed properties (public domain)

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